Sentence examples for level of calculation from inspiring English sources

Algebraic models (one for each level of calculation) successfully employed to reproduce the calculated values for H C≡N bond length, a system not included in the training set.

For each level of calculation it was possible to establish an algebraic model to explain how the calculated CC bond length values depend on the molecular orbital wave functions.

"That level of calculation?" Purple has other meanings, too.

We have an intuitive feeling for nature, but he takes it down to a level of calculation and modelling.

Rhyme is a form of clang association, yet its presence often indicates a level of calculation and aesthetic design that we do not associate with mental illness.

It slows one's step and adds a level of calculation — of how things will play — that undermines improvisations, the lightning reactions, the twists and surprises of a more dynamic leadership.

The experimental electronic absorption bands were well predicted by both ZINDO and TD-DFT at B3LYP/6-31G d B3LYP/6-31G dalculations.

It is also noticeable that the Hubbard U parameter used for the various polymers under consideration is relatively large, indicating the semi-empirical nature of the GGA+U level of calculations.

The valence polarization interaction effect is significant at only the HF and MP2 levels of calculation.

Our results have shown that valence, diffuse and polarization main effects are significant at the three levels of calculation here employed: Hartree Fock (HF), Møller Plesset 2 (MP2) and density functional theory (DFT) with B3LYP exchange correlation functional.

The latter increase the CC bond length by +0.0016 Å, at all levels of calculations.